N-[2-(5-hydroxycyclohexa-1,3-dien-1-yl)ethyl]cyclopentanecarboxamide

C14H21NO2 — CID 135213226

IUPACN-[2-(5-hydroxycyclohexa-1,3-dien-1-yl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCC1=CC=CC(O)C1)C1CCCC1
InChIInChI=1S/C14H21NO2/c16-13-7-3-4-11(10-13)8-9-15-14(17)12-5-1-2-6-12/h3-4,7,12-13,16H,1-2,5-6,8-10H2,(H,15,17)
InChIKeyKAKFBGYMJCMZKT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.93
Rot. Bonds4

About N-[2-(5-hydroxycyclohexa-1,3-dien-1-yl)ethyl]cyclopentanecarboxamide

N-[2-(5-hydroxycyclohexa-1,3-dien-1-yl)ethyl]cyclopentanecarboxamide (PubChem CID 135213226) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-(5-hydroxycyclohexa-1,3-dien-1-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-hydroxycyclohexa-1,3-dien-1-yl)ethyl]cyclopentanecarboxamide
PubChem CID135213226
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[2-(5-hydroxycyclohexa-1,3-dien-1-yl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCC1=CC=CC(O)C1)C1CCCC1
InChIInChI=1S/C14H21NO2/c16-13-7-3-4-11(10-13)8-9-15-14(17)12-5-1-2-6-12/h3-4,7,12-13,16H,1-2,5-6,8-10H2,(H,15,17)
InChIKeyKAKFBGYMJCMZKT-UHFFFAOYSA-N
XLogP1.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-hydroxycyclohexa-1,3-dien-1-yl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(5-hydroxycyclohexa-1,3-dien-1-yl)ethyl]cyclopentanecarboxamide (CID 135213226) is N-[2-(5-hydroxycyclohexa-1,3-dien-1-yl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(5-hydroxycyclohexa-1,3-dien-1-yl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(5-hydroxycyclohexa-1,3-dien-1-yl)ethyl]cyclopentanecarboxamide is O=C(NCCC1=CC=CC(O)C1)C1CCCC1.
What is the InChIKey of N-[2-(5-hydroxycyclohexa-1,3-dien-1-yl)ethyl]cyclopentanecarboxamide?
The InChIKey is KAKFBGYMJCMZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-13-7-3-4-11(10-13)8-9-15-14(17)12-5-1-2-6-12/h3-4,7,12-13,16H,1-2,5-6,8-10H2,(H,15,17).
What are the key properties of N-[2-(5-hydroxycyclohexa-1,3-dien-1-yl)ethyl]cyclopentanecarboxamide?
N-[2-(5-hydroxycyclohexa-1,3-dien-1-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-hydroxycyclohexa-1,3-dien-1-yl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 135213226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).